Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,2-Dimethyl-3,5-hexanedione

Related Products

Hot Products

Name

2,2-Dimethyl-3,5-hexanedione

EINECS 230-760-0
CAS No. 7307-04-2 Density 0.918 g/cm3
PSA 34.14000 LogP 1.58070
Solubility 3.327g/L(25 oC) Melting Point 105-106 °C
Formula C8H14O2 Boiling Point 190.8 °C at 760mmHg
Molecular Weight 142.198 Flash Point 66.7 °C
Transport Information 1224 Appearance Clear colorless to pale yellow liquid
Safety 23-24/25 Risk Codes 10-22
Molecular Structure Molecular Structure of 7307-04-2 (2,2-DIMETHYL-3,5-HEXANEDIONE) Hazard Symbols HarmfulXn
Synonyms

2,4-Hexanedione, 5,5-dimethyl-;4-hydroxy-5,5-dimethyl-hex-3-en-2-one;

Article Data 24

2,2-Dimethyl-3,5-hexanedione Specification

The systematic name of this chemical is 5,5-Dimethylhexane-2,4-dione. With the CAS registry number 7307-04-2, it is also named as 2,4-Hexanedione, 5,5-dimethyl-. The product's categories are C7 to C8; Carbonyl Compounds; Ketones. It is clear colorless to pale yellow liquid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.14; (6)ACD/BCF (pH 7.4): 9.09; (7)ACD/KOC (pH 5.5): 169.65; (8)ACD/KOC (pH 7.4): 168.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 39.13 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 15.51×10-24 cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.918 g/cm3; (19)Flash Point: 66.7 °C; (20)Enthalpy of Vaporization: 42.7 kJ/mol; (21)Boiling Point: 190.8 °C at 760 mmHg; (22)Vapour Pressure: 0.532 mmHg at 25°C.

Preparation of 5,5-Dimethylhexane-2,4-dione: It can be obtained by 5-Amino-2,2-dimethyl-hexen-4-on-3. This reaction needs reagent H2SO4 and solvent ethanol by heating. The reaction time is 2 hours. The yield is 90%.

Uses of 5,5-Dimethylhexane-2,4-dione: It can react with aniline to get 2,2-dimethyl-5-phenylamino-hex-4-en-3-one. This reaction needs solvent diethyl ether.

When you are using this chemical, please be cautious about it as the following:
It is flammable. And it is harmful if swallowed. So people should not breathe vapour and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(C(C)(C)C)CC(=O)C
2. InChI:InChI=1/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3
3. InChIKey:LCLCVVVHIPPHCG-UHFFFAOYAM

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 7307-04-2